CID 15959217

6-chloro-1a-(ethoxymethyl)-7b-propyl-1,3-dihydrocyclopropa[c]quinolin-2-one

Structural Information

Molecular Formula
C16H20ClNO2
SMILES
CCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)COCC
InChI
InChI=1S/C16H20ClNO2/c1-3-7-15-9-16(15,10-20-4-2)14(19)18-13-6-5-11(17)8-12(13)15/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,19)
InChIKey
XIMAHORSHUZPIR-UHFFFAOYSA-N
Compound name
6-chloro-1a-(ethoxymethyl)-7b-propyl-1,3-dihydrocyclopropa[c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.11826 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12554 169.9
[M+Na]+ 316.10748 181.1
[M-H]- 292.11098 173.0
[M+NH4]+ 311.15208 185.7
[M+K]+ 332.08142 175.3
[M+H-H2O]+ 276.11552 164.7
[M+HCOO]- 338.11646 181.6
[M+CH3COO]- 352.13211 202.7
[M+Na-2H]- 314.09293 176.0
[M]+ 293.11771 176.4
[M]- 293.11881 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.